ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate

C16H23ClN2O2 — CID 170885740

IUPACethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(N2CCCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-2-21-16(20)15(18)10-12-6-7-13(11-14(12)17)19-8-4-3-5-9-19/h6-7,11,15H,2-5,8-10,18H2,1H3
InChIKeyDAIICIQKWPETGB-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.76
Rot. Bonds5

About ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate

ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate (PubChem CID 170885740) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate
PubChem CID170885740
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Nameethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(N2CCCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-2-21-16(20)15(18)10-12-6-7-13(11-14(12)17)19-8-4-3-5-9-19/h6-7,11,15H,2-5,8-10,18H2,1H3
InChIKeyDAIICIQKWPETGB-UHFFFAOYSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate
CID 170885745
ethyl 2-amino-3-(2-chloro-5-methyl-4-pyrrolidin-1-ylphenyl)propanoate
CID 170885766
methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate
CID 170884554
methyl 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoate
CID 170884232
ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 170885664
2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 170880007
2-amino-3-(2,4-dichlorophenyl)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]propan-1-one
CID 69184296
2-amino-3-(2,6-dichloro-4-piperidin-1-ylphenyl)propanoic acid
CID 170880009
ethyl 3-oxo-2-[(4-piperidin-1-ylphenyl)methyl]butanoate
CID 23009575
ethyl 3-(2-chloro-4-methylphenyl)-2-hydroxypropanoate
CID 106866425
ethyl (2R,4R)-4-amino-5-(4-bromo-2-chlorophenyl)-2-hydroxy-3-oxopentanoate
CID 135215437
ethyl 5-(2-chloro-4-pyrrolidin-1-ylphenyl)-2H-triazole-4-carboxylate
CID 169399959

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate (CID 170885740) is ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate is CCOC(=O)C(N)Cc1ccc(N2CCCCC2)cc1Cl.
What is the InChIKey of ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate?
The InChIKey is DAIICIQKWPETGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-21-16(20)15(18)10-12-6-7-13(11-14(12)17)19-8-4-3-5-9-19/h6-7,11,15H,2-5,8-10,18H2,1H3.
What are the key properties of ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate?
ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate has a molecular weight of 310.83 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate is sourced from PubChem (CID 170885740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).